(5,5,5-trifluoro-4,4-dimethylpentyl)benzene

C13H17F3 — CID 145046793

IUPAC(5,5,5-trifluoro-4,4-dimethylpentyl)benzene
SMILESCC(C)(CCCc1ccccc1)C(F)(F)F
InChIInChI=1S/C13H17F3/c1-12(2,13(14,15)16)10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,6,9-10H2,1-2H3
InChIKeyMQXAXTRLJVCFFM-UHFFFAOYSA-N
MW230.27 g/mol
LogP4.60
Rot. Bonds4

About (5,5,5-trifluoro-4,4-dimethylpentyl)benzene

(5,5,5-trifluoro-4,4-dimethylpentyl)benzene (PubChem CID 145046793) has the molecular formula C13H17F3 and a molecular weight of 230.27 g/mol. Its IUPAC name is (5,5,5-trifluoro-4,4-dimethylpentyl)benzene.

Molecular Properties

Compound Name(5,5,5-trifluoro-4,4-dimethylpentyl)benzene
PubChem CID145046793
Molecular FormulaC13H17F3
Molecular Weight230.27 g/mol
Exact Mass230.13
IUPAC Name(5,5,5-trifluoro-4,4-dimethylpentyl)benzene
SMILESCC(C)(CCCc1ccccc1)C(F)(F)F
InChIInChI=1S/C13H17F3/c1-12(2,13(14,15)16)10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,6,9-10H2,1-2H3
InChIKeyMQXAXTRLJVCFFM-UHFFFAOYSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(5-chloro-4,4-dimethylpentyl)benzene
CID 66059754
N,N,2-trimethyl-5-phenylpentan-2-amine
CID 13178252
27,27-dimethyloctacosylbenzene
CID 140589361
4-phenylbutylbenzene
CID 141301927
2-methyl-6-phenylhexan-2-ol
CID 12716611
2-fluoro-5-phenyl-2-propylpentan-1-amine
CID 112567709
4-methyl-1-phenylheptan-4-ol
CID 67874665
2,2-difluoro-1,5-diphenylpentan-1-one
CID 176909936
(2-methyl-6-phenylhexan-2-yl)benzene
CID 57113008
methane;4-phenylbutylbenzene
CID 173386802
hafnium;4-phenylbutylbenzene
CID 175889972
1,4-bis(3-phenylpropyl)benzene
CID 59467322

Frequently Asked Questions

What is the IUPAC name of (5,5,5-trifluoro-4,4-dimethylpentyl)benzene?
The IUPAC name of (5,5,5-trifluoro-4,4-dimethylpentyl)benzene (CID 145046793) is (5,5,5-trifluoro-4,4-dimethylpentyl)benzene.
What is the SMILES notation for (5,5,5-trifluoro-4,4-dimethylpentyl)benzene?
The canonical SMILES for (5,5,5-trifluoro-4,4-dimethylpentyl)benzene is CC(C)(CCCc1ccccc1)C(F)(F)F.
What is the InChIKey of (5,5,5-trifluoro-4,4-dimethylpentyl)benzene?
The InChIKey is MQXAXTRLJVCFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3/c1-12(2,13(14,15)16)10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,6,9-10H2,1-2H3.
What are the key properties of (5,5,5-trifluoro-4,4-dimethylpentyl)benzene?
(5,5,5-trifluoro-4,4-dimethylpentyl)benzene has a molecular weight of 230.27 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5,5,5-trifluoro-4,4-dimethylpentyl)benzene is sourced from PubChem (CID 145046793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).